2-[4-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: 2-[4-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 2-[4-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 2-[4-[2-(3,3-dimethyl-1-pyrrolidinyl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 2-[4-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 2-[4-[2-(3,3-dimethylpyrrolidino)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O)C

Isomeric SMILES

CC1(CCN(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O)C

InChI

InChI=1S/C28H31NO4S/c1-28(2)12-13-29(18-28)14-15-32-23-9-6-19(7-10-23)26-27(20-4-3-5-21(30)16-20)34-25-17-22(31)8-11-24(25)33-26/h3-11,16-17,26-27,30-31H,12-15,18H2,1-2H3